5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one

C16H15N3O — CID 90850295

IUPAC5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one
SMILES[H]/N=C(\C)c1cncc(-c2ccc3c(c2)CC(=O)N3C)c1
InChIInChI=1S/C16H15N3O/c1-10(17)13-6-14(9-18-8-13)11-3-4-15-12(5-11)7-16(20)19(15)2/h3-6,8-9,17H,7H2,1-2H3/b17-10+
InChIKeyLBWIPHQOMZEDTH-LICLKQGHSA-N
MW265.32 g/mol
LogP2.66
Rot. Bonds2

About 5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one

5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one (PubChem CID 90850295) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one
PubChem CID90850295
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one
SMILES[H]/N=C(\C)c1cncc(-c2ccc3c(c2)CC(=O)N3C)c1
InChIInChI=1S/C16H15N3O/c1-10(17)13-6-14(9-18-8-13)11-3-4-15-12(5-11)7-16(20)19(15)2/h3-6,8-9,17H,7H2,1-2H3/b17-10+
InChIKeyLBWIPHQOMZEDTH-LICLKQGHSA-N
XLogP2.66
TPSA57.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-5-(1-methyl-2-oxo-3H-indol-5-yl)pyridine-3-carboxamide
CID 66793912
5-(5-amino-3-pyridinyl)-1-methyl-3H-indol-2-one
CID 66793931
1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one
CID 66794059
1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone
CID 82540878
5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one
CID 82299502
5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one
CID 82387510
N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide
CID 89439796
5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one
CID 116884391
5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one
CID 116899433
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591
4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 82300289
1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 60528907

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one (CID 90850295) is 5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one is [H]/N=C(\C)c1cncc(-c2ccc3c(c2)CC(=O)N3C)c1.
What is the InChIKey of 5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one?
The InChIKey is LBWIPHQOMZEDTH-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10(17)13-6-14(9-18-8-13)11-3-4-15-12(5-11)7-16(20)19(15)2/h3-6,8-9,17H,7H2,1-2H3/b17-10+.
What are the key properties of 5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one?
5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one has a molecular weight of 265.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 90850295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).